3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

C25H24N2OS — CID 43989546

IUPAC3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)c1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C25H24N2OS/c1-17(2)20-13-14-22-23(15-20)29-25(26-22)27-24(28)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,21H,16H2,1-2H3,(H,26,27,28)
InChIKeyUGNIMPWEWSRLCO-UHFFFAOYSA-N
MW400.55 g/mol
LogP6.58
Rot. Bonds6

About 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 43989546) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
PubChem CID43989546
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC Name3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)c1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C25H24N2OS/c1-17(2)20-13-14-22-23(15-20)29-25(26-22)27-24(28)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,21H,16H2,1-2H3,(H,26,27,28)
InChIKeyUGNIMPWEWSRLCO-UHFFFAOYSA-N
XLogP6.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide
CID 3339715
2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 7202868
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 8700884
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838062
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 7926146
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46290872
N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 8881883

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (CID 43989546) is 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is CC(C)c1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1.
What is the InChIKey of 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is UGNIMPWEWSRLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-17(2)20-13-14-22-23(15-20)29-25(26-22)27-24(28)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,21H,16H2,1-2H3,(H,26,27,28).
What are the key properties of 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 400.55 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 43989546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).